Compound Detail
CHEMBL1822516
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Basic Information
| ChEMBL ID | CHEMBL1822516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEDAFPKEIJOTMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
2.99
ALogP
7
HBA
2
HBD
91.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin receptor CHEMBL1981 | IC50 | 6.49 | 6.49 | 326.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 6.14 | 6.14 | 726.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin receptor | IC50 | = | 326.0 | nM | 6.49 | Inhibition of IR | 21859094 |
| ALK tyrosine kinase receptor | IC50 | = | 726.0 | nM | 6.14 | Inhibition of human recombinant ALK assessed as phosphorylated product using PLC... | 21859094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21859094 | 10.1021/jm200758k | ALK tyrosine kinase receptor | 1 |
| 21859094 | 10.1021/jm200758k | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine